[3H]epibatidine   

GtoPdb Ligand ID: 3977

   
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 24.92
Molecular weight 208.08
XLogP 1.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cn1)C1CC2NC1CC2
Isomeric SMILES Clc1ccc(cn1)C1CC2NC1CC2
InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChI Key NLPRAJRHRHZCQQ-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel